(4E)-4-[(3-methoxy-4-oxidanyl-phenyl)methylidene]isoquinoline-1,3-dione

Systemtic Name: (4E)-4-[(3-methoxy-4-oxidanyl-phenyl)methylidene]isoquinoline-1,3-dione Openeye Name: (4E)-4-[(4-hydroxy-3-methoxy-phenyl)methylene]isoquinoline-1,3-dione CAS Name: (4E)-4-[(4-hydroxy-3-methoxyphenyl)methylidene]isoquinoline-1,3-dione IUPAC Name: (4E)-4-[(4-hydroxy-3-methoxyphenyl)methylidene]isoquinoline-1,3-dione Traditional Name: (4E)-4-vanillylideneisoquinoline-1,3-quinone Formula: C17H13NO4 MolecularWeight: 295.28942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C2C3=CC=CC=C3C(=O)NC2=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/2\C3=CC=CC=C3C(=O)NC2=O)O

InChI

InChI=1S/C17H13NO4/c1-22-15-9-10(6-7-14(15)19)8-13-11-4-2-3-5-12(11)16(20)18-17(13)21/h2-9,19H,1H3,(H,18,20,21)/b13-8+